1-[(1R,2S,4S,6S)-2-Isothiocyanato-6-Bicyclo[2.2.1]Heptanyl]Ethanone
[CAS# 153495-76-2]

Identification

• Name: 1-[(1R,2S,4S,6S)-2-Isothiocyanato-6-Bicyclo[2.2.1]Heptanyl]Ethanone
• Synonyms: 1-[(1R,2S,4S,6S)-6-Isothiocyanatonorbornan-2-Yl]Ethanone; 1-[(1R,2S,4S,6S)-6-Isothiocyanato-2-Norbornanyl]Ethanone; 2-Acetyl-6-Isothiocyanate Norbornane
• Molecular Formula: C₁₀H₁₃NOS
• Molecular Weight: 195.28
• CAS Registry Number: 153495-76-2
• SMILES: [C@@H]1(C[C@@H]2C[C@@H]([C@H]1C2)C(C)=O)N=C=S
• InChI: 1S/C10H13NOS/c1-6(12)8-2-7-3-9(8)10(4-7)11-5-13/h7-10H,2-4H2,1H3/t7-,8-,9-,10+/m1/s1
• InChIKey: AYUSDYWETCHGNN-KYXWUPHJSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 323.5±21.0°C at 760 mmHg (Cal.)
• Flash point: 149.4±22.1°C (Cal.)